4-(2,2-difluoroethoxy)-N-ethyl-1-(1,3-thiazol-2-yl)butan-2-amine

C11H18F2N2OS — CID 103149573

IUPAC4-(2,2-difluoroethoxy)-N-ethyl-1-(1,3-thiazol-2-yl)butan-2-amine
SMILESCCNC(CCOCC(F)F)Cc1nccs1
InChIInChI=1S/C11H18F2N2OS/c1-2-14-9(3-5-16-8-10(12)13)7-11-15-4-6-17-11/h4,6,9-10,14H,2-3,5,7-8H2,1H3
InChIKeyRJBODZRSIMWSQN-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.34
Rot. Bonds9

About 4-(2,2-difluoroethoxy)-N-ethyl-1-(1,3-thiazol-2-yl)butan-2-amine

4-(2,2-difluoroethoxy)-N-ethyl-1-(1,3-thiazol-2-yl)butan-2-amine (PubChem CID 103149573) has the molecular formula C11H18F2N2OS and a molecular weight of 264.34 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)-N-ethyl-1-(1,3-thiazol-2-yl)butan-2-amine.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)-N-ethyl-1-(1,3-thiazol-2-yl)butan-2-amine
PubChem CID103149573
Molecular FormulaC11H18F2N2OS
Molecular Weight264.34 g/mol
Exact Mass264.11
IUPAC Name4-(2,2-difluoroethoxy)-N-ethyl-1-(1,3-thiazol-2-yl)butan-2-amine
SMILESCCNC(CCOCC(F)F)Cc1nccs1
InChIInChI=1S/C11H18F2N2OS/c1-2-14-9(3-5-16-8-10(12)13)7-11-15-4-6-17-11/h4,6,9-10,14H,2-3,5,7-8H2,1H3
InChIKeyRJBODZRSIMWSQN-UHFFFAOYSA-N
XLogP2.34
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethoxy)-N-ethyl-1-(1,3-thiazol-2-yl)butan-2-amine?
The IUPAC name of 4-(2,2-difluoroethoxy)-N-ethyl-1-(1,3-thiazol-2-yl)butan-2-amine (CID 103149573) is 4-(2,2-difluoroethoxy)-N-ethyl-1-(1,3-thiazol-2-yl)butan-2-amine.
What is the SMILES notation for 4-(2,2-difluoroethoxy)-N-ethyl-1-(1,3-thiazol-2-yl)butan-2-amine?
The canonical SMILES for 4-(2,2-difluoroethoxy)-N-ethyl-1-(1,3-thiazol-2-yl)butan-2-amine is CCNC(CCOCC(F)F)Cc1nccs1.
What is the InChIKey of 4-(2,2-difluoroethoxy)-N-ethyl-1-(1,3-thiazol-2-yl)butan-2-amine?
The InChIKey is RJBODZRSIMWSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2OS/c1-2-14-9(3-5-16-8-10(12)13)7-11-15-4-6-17-11/h4,6,9-10,14H,2-3,5,7-8H2,1H3.
What are the key properties of 4-(2,2-difluoroethoxy)-N-ethyl-1-(1,3-thiazol-2-yl)butan-2-amine?
4-(2,2-difluoroethoxy)-N-ethyl-1-(1,3-thiazol-2-yl)butan-2-amine has a molecular weight of 264.34 g/mol, XLogP of 2.34, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethoxy)-N-ethyl-1-(1,3-thiazol-2-yl)butan-2-amine is sourced from PubChem (CID 103149573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).